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- Currently displaying 20501 - 20520 of 29639 publications
Density functional calculation of the electronic absorption spectrum of Cu+ and Ag+ aqua ions
The Journal of chemical physics
(2004)
121
11885
(doi: 10.1063/1.1818676)
A low cost instrument based on a solid state sensor for balloon-borne atmospheric O-3 profile sounding
Environmental Science Processes & Impacts
(2004)
7
158
(doi: 10.1039/b412184h)
The influence of temperature and density functional models in ab initio molecular dynamics simulation of liquid water
The Journal of chemical physics
(2004)
122
14515
(doi: 10.1063/1.1828433)
Synthesis and structure determination of a new organically templated scandium fluorophosphate framework and its indium analogue
Chemistry of Materials
(2004)
16
{5350-5356}
(doi: 10.1021/cm048764r)
The Energy Landscape as a Unifying Theme in Molecular Science
Philosophical transactions. Series A, Mathematical, physical, and engineering sciences
(2004)
363
357
(doi: 10.1098/rsta.2004.1497)
Line strengths and transition dipole moment of the nu2 fundamental band of the methyl radical.
Journal of Chemical Physics
(2004)
122
014306
(doi: 10.1063/1.1812755)
Resolution of (S,S)-4-(2,2,4-trimethylchroman-4-yl)phenyl camphanate and its 4-chromanyl epimer by crystallization
Acta Crystallographica Section C: Structural Chemistry
(2004)
61
O32
(doi: 10.1107/S0108270104029671)
The molecular physics lecture 2004: (i) Density functional theory, (ii) Quantum Monte Carlo
Molecular Physics
(2004)
102
2399
(doi: 10.1080/00268970412331293848)
Speed-up of Monte Carlo simulations by sampling of rejected states
Proc Natl Acad Sci U S A
(2004)
101
17571
(doi: 10.1073/pnas.0407950101)
The Hydrophobic Effect as a Driving Force in the Self‐Assembly of a [2×2] Copper(I) Grid
Angewandte Chemie (International ed. in English)
(2004)
43
6724
(doi: 10.1002/anie.200461308)
The Hydrophobic Effect as a Driving Force in the Self‐Assembly of a [2×2] Copper(I) Grid
Angewandte Chemie
(2004)
116
6892
(doi: 10.1002/ange.200461308)
What is the smallest saturated acyclic alkane that cannot be made?
J Chem Inf Model
(2004)
45
81
(doi: 10.1021/ci0497657)
Reactions of Potent Antitumor Complextrans-[RuIIICl4(indazole)2]-with a DNA-Relevant Nucleobase and Thioethers: Insight into Biological Action
Inorg Chem
(2004)
44
122
(doi: 10.1021/ic048967h)
Total synthesis of the Fusarium toxin equisetin
Organic and Biomolecular Chemistry
(2004)
3
274
(doi: 10.1039/b411350k)
Molecular dynamics simulations of GlpF in a micelle vs in a bilayer: Conformational dynamics of a membrane protein as a function of environment
Journal of Physical Chemistry B
(2004)
109
575
(doi: 10.1021/jp046727h)
Adsorption of atmospherically relevant gases at the air/water interface: Free energy profiles of aqueous solvation of N-2, O-2, O-3, OH, H2O, HO2, and H2O2
Journal of Physical Chemistry A
(2004)
108
11573
(doi: 10.1021/jp046268k)
Phi value versus psi analysis.
Proceedings of the National Academy of Sciences
(2004)
101
17327
(doi: 10.1073/pnas.0407863101)
A second-generation total synthesis of (+)-discodermolide: The development of a practical route using solely substrate-based stereocontrol
The Journal of Organic Chemistry
(2004)
70
150
(doi: 10.1021/jo048534w)
